Geometry & MOs

Info

ID:	123576
PubChem CID:	50854898
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	316.134241
ΔH_f, kcal/mol:	-32.04
Dipole, Da:	10.02
IP(EA), eV:	-8.68(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-1-(1-cyclohexylpyrrol-3-yl)methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN(C=C3)C4CCCCC4)/C(=O)NC2=S

DOS

IR

Vibrations