Geometry & MOs

Info

ID:	350199
PubChem CID:	127277277
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	1.65
Dipole, Da:	3.62
IP(EA), eV:	-8.97(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)NC3CC3

DOS

IR

Vibrations