Geometry & MOs

Info

ID:	84302
PubChem CID:	49865645
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	4.61
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNC(=O)CN2C(=NC3=C(C2=O)C=C(C=C3)OCCCN4CCNCC4)C5=CC=CC=C5

DOS

IR

Vibrations