Geometry & MOs

Info

ID:	121184
PubChem CID:	50758017
Reduced:	FN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	3.9
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)CN2C(=O)CCCC3=CC=CC=C32

DOS

IR

Vibrations