Geometry & MOs

Info

ID:	60495
PubChem CID:	26697093
Reduced:	O3N4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754091
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylethyl)-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCNC(=O)CN2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations