Geometry & MOs

Info

ID:	328409
PubChem CID:	126706435
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	4.43
IP(EA), eV:	-8.18(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-1-[4-(4-hydroxypiperidin-1-yl)phenyl]-7-methoxy-N-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=C(C=C1C(=N)C2=CC=C(C=C2)N3CCC(CC3)O)OC)OC)NC(=O)NC

DOS

IR

Vibrations