Geometry & MOs

Info

ID:	84301
PubChem CID:	49865634
Reduced:	N2O7C21H24 (1)
Stoich.:	A2B7C21D24 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-184.43
Dipole, Da:	5.37
IP(EA), eV:	-8.64(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-[4-oxo-2-phenyl-6-(3-piperazin-1-ylpropoxy)quinazolin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C/C(=C\2/CC(N(N2)C(=O)CO)C3=CC(=C(C(=C3)OC)OC)OC)/C=CC1=O

DOS

IR

Vibrations