Geometry & MOs

Info

ID:	67947
PubChem CID:	46507490
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	420.135304
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	5.22
IP(EA), eV:	-8.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=NC4=C3OC5=CC=CC=C54

DOS

IR

Vibrations