Geometry & MOs

Info

ID:	152263
PubChem CID:	56311158
Reduced:	FO2N4C25H39 (1)
Stoich.:	AB2C4D25E39 (1)
Weight, g/mol:	495.300954
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	3.53
IP(EA), eV:	-8.61(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-2-[4-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F)N4CCOCC4

DOS

IR

Vibrations