Geometry & MOs

Info

ID:	350024
PubChem CID:	127276897
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	5.43
Dipole, Da:	3.09
IP(EA), eV:	-8.62(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)C3(CCCC3)C#N

DOS

IR

Vibrations