Geometry & MOs

Info

ID:	11700
PubChem CID:	119357
Reduced:	O2N6C27H38 (1)
Stoich.:	A2B6C27D38 (1)
Weight, g/mol:	478.305624
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	5.44
IP(EA), eV:	-8.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

DOS

IR

Vibrations