Geometry & MOs

Info

ID:	122998
PubChem CID:	50829689
Reduced:	ON5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	40.62
Dipole, Da:	5.53
IP(EA), eV:	-8.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCCC5

DOS

IR

Vibrations