Geometry & MOs

Info

ID:	350025
PubChem CID:	127276898
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-77.24
Dipole, Da:	7.56
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

DOS

IR

Vibrations