Geometry & MOs

Info

ID:	147727
PubChem CID:	53787384
Reduced:	NO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-230.06
Dipole, Da:	6.16
IP(EA), eV:	-10.3(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N,4-dimethyl-N-[(1-methylindol-2-yl)methyl]-3-oxo-2-propyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)O

DOS

IR

Vibrations