Geometry & MOs

Info

ID:	359027
PubChem CID:	127297271
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-82.11
Dipole, Da:	6.67
IP(EA), eV:	-9.9(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

DOS

IR

Vibrations