Geometry & MOs

Info

ID:	151943
PubChem CID:	56310776
Reduced:	FON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	395.237291
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	5.07
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)N(CCC#N)CCC#N)CC2=CC=CC=C2F

DOS

IR

Vibrations