Geometry & MOs

Info

ID:	196516
PubChem CID:	78839899
Reduced:	OSN7H19C22 (1)
Stoich.:	ABC7D19E22 (1)
Weight, g/mol:	370.171499
ΔH_f, kcal/mol:	123.3
Dipole, Da:	4.36
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-methylsulfanylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)NC3=NC(=C(S3)C4=NC=CN4C)C5=CC=CC=C5)C

DOS

IR

Vibrations