Geometry & MOs

Info

ID:	65783
PubChem CID:	46386866
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-143.23
Dipole, Da:	3.19
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C3=CC=CC=C3C2=O)CC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations