Geometry & MOs

Info

ID:	60040
PubChem CID:	26666180
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-157.38
Dipole, Da:	3.3
IP(EA), eV:	-9.22(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations