Geometry & MOs

Info

ID:	152848
PubChem CID:	56311927
Reduced:	FN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	376.146617
ΔH_f, kcal/mol:	-119.33
Dipole, Da:	5.64
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-3-yl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations