Geometry & MOs

Info

ID:	122948
PubChem CID:	50828369
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	3.72
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)C3CCN(CC3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations