Geometry & MOs

Info

ID:	262227
PubChem CID:	103277752
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	275.224915
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	4.2
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethylcyclohex-3-en-1-yl)-hydroxymethyl]-4-ethylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)C(CO)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations