Geometry & MOs

Info

ID:	153159
PubChem CID:	56312307
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	415.22712
ΔH_f, kcal/mol:	-97.83
Dipole, Da:	5.05
IP(EA), eV:	-8.97(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations