Geometry & MOs

Info

ID:	152845
PubChem CID:	56311923
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	425.259089
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	6.07
IP(EA), eV:	-8.89(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations