Geometry & MOs

Info

ID:	438037
PubChem CID:	135227550
Reduced:	NH21C22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	335.2613
ΔH_f, kcal/mol:	166.01
Dipole, Da:	1.01
IP(EA), eV:	-8.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17R)-N-cyclohexa-2,4-dien-1-yl-N-methyltetracyclo[7.6.2.04,17.012,16]heptadeca-12,14-dien-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=CC(=C2C=CC=CC2=C1)N(C)C3=CC=CC=C3

DOS

IR

Vibrations