Geometry & MOs

Info

ID:	133722
PubChem CID:	51582339
Reduced:	N3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	355.208219
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	5.78
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-[3-(dimethylamino)propyl]-3-(2-ethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C#N)COC(=O)[C@@H]2COC3=CC=CC=C3O2)C4=CC=CC=C4

DOS

IR

Vibrations