Geometry & MOs

Info

ID:	262192
PubChem CID:	103276085
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	4.42
Dipole, Da:	4.82
IP(EA), eV:	-8.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CNC2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations