Geometry & MOs

Info

ID:	276211
PubChem CID:	103821271
Reduced:	OSN3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	4.45
IP(EA), eV:	-8.53(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-methylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN(CCNC(=O)CC1CSCCN1)C2CC2

DOS

IR

Vibrations