Geometry & MOs

Info

ID:	152741
PubChem CID:	56311800
Reduced:	FON3C22H32 (1)
Stoich.:	ABC3D22E32 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	3.0
IP(EA), eV:	-8.83(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations