Geometry & MOs

Info

ID:	449713
PubChem CID:	135300877
Reduced:	ON3H23C30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	287.142248
ΔH_f, kcal/mol:	131.19
Dipole, Da:	1.13
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-10-phenyl-[1,4]diazepino[5,6-b]indole

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)C2=CC(C=CC=C2)(C)C3=CC=CC4=C3OC5=CC=CC=C45)C6=CC=CC=C6

DOS

IR

Vibrations