Geometry & MOs

Info

ID:	214304
PubChem CID:	84975002
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-166.88
Dipole, Da:	4.76
IP(EA), eV:	-7.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)CN2CCCC(C2)C(=O)N)OCC

DOS

IR

Vibrations