Geometry & MOs

Info

ID:	165819
PubChem CID:	74601265
Reduced:	NC21H34 (1)
Stoich.:	AB21C34 (1)
Weight, g/mol:	299.2613
ΔH_f, kcal/mol:	22.56
Dipole, Da:	1.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752055
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)(CCC[NH+](C)C)C3=CC=CC=C3)C)C

DOS

IR

Vibrations