Geometry & MOs

Info

ID:	36855
PubChem CID:	8013798
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	320.167083
ΔH_f, kcal/mol:	-215.01
Dipole, Da:	5.65
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-(2,5-dimethylphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations