Geometry & MOs

Info

ID:	377885
PubChem CID:	134223951
Reduced:	N2O6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	434.16085
ΔH_f, kcal/mol:	-212.15
Dipole, Da:	15.73
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(3-methoxypropoxy)-5-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1CN(C2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCCCOC)C

DOS

IR

Vibrations