Geometry & MOs

Info

ID:	75072
PubChem CID:	48422951
Reduced:	FN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-100.32
Dipole, Da:	3.89
IP(EA), eV:	-8.82(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)F)OCC3CC3

DOS

IR

Vibrations