Geometry & MOs

Info

ID:	206317
PubChem CID:	80229614
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	3.48
IP(EA), eV:	-9.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(4,4-dimethylcyclohexyl)-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(C)C(=O)C(=O)NCC#N)C

DOS

IR

Vibrations