Geometry & MOs

Info

ID:	59341
PubChem CID:	24817751
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	442.24811
ΔH_f, kcal/mol:	-103.97
Dipole, Da:	2.34
IP(EA), eV:	-9.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C1)N(N=C2)C3=CC(=CC=C3)F)NC(=O)CCN4CCCC4=O)C

DOS

IR

Vibrations