Geometry & MOs

Info

ID:	297805
PubChem CID:	117632246
Reduced:	ClSN6O7C33H47 (1)
Stoich.:	ABC6D7E33F47 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-278.84
Dipole, Da:	3.95
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-7-(2-methylpropyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)C3=CC(=CN=C3)NS(=O)(=O)C4CC4)Cl

DOS

IR

Vibrations