Geometry & MOs

Info

ID:	38006
PubChem CID:	8026345
Reduced:	O3N4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	8.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761786
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(4-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations