Geometry & MOs

Info

ID:	404708
PubChem CID:	135069790
Reduced:	C5H8 (3)
Stoich.:	A5B8 (3)
Weight, g/mol:	302.178299
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	0.47
IP(EA), eV:	-8.79(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12Z)-10-benzyl-1-methyl-3,10-diazatricyclo[6.6.1.04,15]pentadeca-2,4,6,8(15),12-pentaene

Drug info:

PubChemData

Smile

C[C@H]1CCC2[C@]13C[C@@H](C2(C)C)CC=C3C

DOS

IR

Vibrations