Geometry & MOs

Info

ID:	195582
PubChem CID:	78704290
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	336.210959
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	7.64
IP(EA), eV:	-8.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-ethylphenyl)-3-[[4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations