Geometry & MOs

Info

ID:	179376
PubChem CID:	76473933
Reduced:	O4C23H34 (1)
Stoich.:	A4B23C34 (1)
Weight, g/mol:	479.165663
ΔH_f, kcal/mol:	-210.59
Dipole, Da:	5.58
IP(EA), eV:	-9.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[5-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C

DOS

IR

Vibrations