Geometry & MOs

Info

ID:	157938
PubChem CID:	56459065
Reduced:	O4N5C27H31 (1)
Stoich.:	A4B5C27D31 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-95.07
Dipole, Da:	1.22
IP(EA), eV:	-9.45(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(morpholin-4-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C

DOS

IR

Vibrations