Geometry & MOs

Info

ID:	189092
PubChem CID:	77817017
Reduced:	ClON5C25H34 (1)
Stoich.:	ABC5D25E34 (1)
Weight, g/mol:	246.059362
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	7.83
IP(EA), eV:	-8.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CC1CCC2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CC4=CC=C(C=C4)Cl)N(C)C(C)C

DOS

IR

Vibrations