Geometry & MOs

Info

ID:	438777
PubChem CID:	135228533
Reduced:	N2O2C27H30 (1)
Stoich.:	A2B2C27D30 (1)
Weight, g/mol:	329.271865
ΔH_f, kcal/mol:	-20.45
Dipole, Da:	5.01
IP(EA), eV:	-7.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-N-(2-phenylbutyl)-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=C)C(=C4)C(=O)C)C(C)(C)C)OC

DOS

IR

Vibrations