Geometry & MOs

Info

ID:	449714
PubChem CID:	135300881
Reduced:	N3H17C19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	287.142248
ΔH_f, kcal/mol:	137.72
Dipole, Da:	2.89
IP(EA), eV:	-8.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-6-phenyl-[1,4]diazepino[2,3-b]indole

Drug info:

PubChemData

Smile

CC1(C=NC2=C(C=N1)C3=CC=CC=C3N2C4=CC=CC=C4)C

DOS

IR

Vibrations