Geometry & MOs

Info

ID:	242958
PubChem CID:	99214514
Reduced:	ClOSN3C22H26 (1)
Stoich.:	ABCD3E22F26 (1)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	16.97
Dipole, Da:	5.4
IP(EA), eV:	-8.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1CN2CCN(CC2)C3=CC=CC(=C3)NC(=O)CSC4=CC=CC=C4Cl

DOS

IR

Vibrations