Geometry & MOs

Info

ID:	393222
PubChem CID:	135019771
Reduced:	IN2O3H25C27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	326.178299
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	5.73
IP(EA), eV:	-8.4(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2,5-diphenyl-3,4-dihydro-1H-1,6-benzodiazocine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C2N3CCC4=CC(=C(C=C4C3/C(=C(/C5=CC=CC=C5)\I)/O2)OC)OC

DOS

IR

Vibrations