Geometry & MOs

Info

ID:	65798
PubChem CID:	46386882
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-124.19
Dipole, Da:	5.16
IP(EA), eV:	-8.28(-0.8)
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-[4-(3-methylbutoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations