Geometry & MOs

Info

ID:	169395
PubChem CID:	75099742
Reduced:	OF2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	576.190578
ΔH_f, kcal/mol:	-96.06
Dipole, Da:	4.36
IP(EA), eV:	-9.25(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-(2-oxoazepan-3-yl)-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1CC(CN1CC2=CC=CC=C2)NCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations