Geometry & MOs

Info

ID:	174419
PubChem CID:	75761150
Reduced:	O2N3C31H43 (1)
Stoich.:	A2B3C31D43 (1)
Weight, g/mol:	489.335528
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	2.64
IP(EA), eV:	-8.11(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-[4-(dimethylamino)phenyl]-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(C)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations