Geometry & MOs

Info

ID:	142584
PubChem CID:	53062027
Reduced:	BrON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	464.12117
ΔH_f, kcal/mol:	41.9
Dipole, Da:	5.24
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)C3=NC=NC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations