Geometry & MOs

Info

ID:	153849
PubChem CID:	56313172
Reduced:	ClON3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	480.09094
ΔH_f, kcal/mol:	18.09
Dipole, Da:	4.79
IP(EA), eV:	-9.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCCC(C)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations