Geometry & MOs

Info

ID:	174404
PubChem CID:	75761135
Reduced:	N3O4C29H37 (1)
Stoich.:	A3B4C29D37 (1)
Weight, g/mol:	491.278407
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	8.6
IP(EA), eV:	-9.19(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-2,6,6-trimethyl-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(CC2CC1C2(C)C)C(=O)N(C3=CC=CC=C3)C(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC(C)(C)C

DOS

IR

Vibrations