Geometry & MOs

Info

ID:	152858
PubChem CID:	56311937
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	2.66
IP(EA), eV:	-8.66(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations