Geometry & MOs

Info

ID:	346228
PubChem CID:	127270719
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	374.256943
ΔH_f, kcal/mol:	-163.56
Dipole, Da:	7.35
IP(EA), eV:	-9.67(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)NC2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations