Geometry & MOs

Info

ID:	1488
PubChem CID:	4585
Reduced:	SN4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	312.140868
ΔH_f, kcal/mol:	78.03
Dipole, Da:	4.88
IP(EA), eV:	-7.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine

Drug info:

PubChemData

Smile

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C

DOS

IR

Vibrations