Geometry & MOs

Info

ID:	377624
PubChem CID:	134223688
Reduced:	ON2H34C51 (1)
Stoich.:	AB2C34D51 (1)
Weight, g/mol:	323.246044
ΔH_f, kcal/mol:	174.41
Dipole, Da:	1.17
IP(EA), eV:	-8.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(1S)-1,5,5-trimethyl-2-prop-1-en-2-ylcyclohexanecarbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C=CC(=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations