Geometry & MOs

Info

ID:	58035
PubChem CID:	24423633
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	4.29
IP(EA), eV:	-8.4(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)thiourea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCCOC

DOS

IR

Vibrations