Geometry & MOs

Info

ID:	216793
PubChem CID:	85086783
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	302.178299
ΔH_f, kcal/mol:	-96.78
Dipole, Da:	3.43
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diphenyl-1,5-diazatricyclo[5.2.2.02,6]undec-5-ene

Drug info:

PubChemData

Smile

CC(=C(C)CCC(C)(C1CC2=C(N1)C=CC(=C2)C(=O)N)O)C

DOS

IR

Vibrations