Geometry & MOs

Info

ID:	425997
PubChem CID:	135134508
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	438.169191
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	3.09
IP(EA), eV:	-9.71(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

CC(CCC(CCO)N)C1CCC(=O)CC1

DOS

IR

Vibrations