Geometry & MOs

Info

ID:	173294
PubChem CID:	75620702
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-23.43
Dipole, Da:	4.99
IP(EA), eV:	-9.46(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)C3=CC=CC(=C3)COC

DOS

IR

Vibrations