Geometry & MOs

Info

ID:	58127
PubChem CID:	24424242
Reduced:	SN2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	5.62
Dipole, Da:	5.95
IP(EA), eV:	-8.43(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)thiourea

Drug info:

PubChemData

Smile

CCNC(=S)NC1=CC=CC2=C1CCCC2

DOS

IR

Vibrations