Geometry & MOs

Info

ID:	121266
PubChem CID:	50761099
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	1.39
Dipole, Da:	8.31
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2N5CCCC5

DOS

IR

Vibrations