Geometry & MOs

Info

ID:

297909

PubChem CID:

117636447

Reduced:

N7O16C38H65 (1)

Stoich.:

A7B16C38D65 (1)

Weight, g/mol:

435.22704

ΔHf, kcal/mol:

-773.67

Dipole, Da:

8.38

IP(EA), eV:

 -10.36(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-indol-5-yl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Drug info:

PubChemData

Smile

CC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations