Geometry & MOs

Info

ID:	123551
PubChem CID:	50853896
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	276.102941
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	10.55
IP(EA), eV:	-8.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations