Geometry & MOs

Info

ID:	84305
PubChem CID:	49865669
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	504.273656
ΔH_f, kcal/mol:	-151.29
Dipole, Da:	4.8
IP(EA), eV:	-8.53(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-[6-[3-(4-methoxypiperidin-1-yl)propoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations