Geometry & MOs

Info

ID:	39820
PubChem CID:	8142488
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	396.277678
ΔH_f, kcal/mol:	60.68
Dipole, Da:	7.45
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]-N-(2-methylphenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=NN=N2)[C@H](C3=CC=C(C=C3)N(C)C)N(C)C(=O)C

DOS

IR

Vibrations