Geometry & MOs

Info

ID:	404624
PubChem CID:	135067972
Reduced:	NOC15H19 (2)
Stoich.:	ABC15D19 (2)
Weight, g/mol:	302.178299
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	2.24
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12R)-10-benzyl-12-ethenyl-5-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene

Drug info:

PubChemData

Smile

CCCCCCC[C@]1(C2=CC=CC=C2C=C(C1=O)C)[C@H]3CCCC[C@H]3NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations