Geometry & MOs

Info

ID:	65782
PubChem CID:	46386865
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	3.4
IP(EA), eV:	-8.59(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O)C

DOS

IR

Vibrations