Geometry & MOs

Info

ID:	140078
PubChem CID:	52642841
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	379.283492
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	3.96
IP(EA), eV:	-9.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(diethylamino)-4-methylpentyl]-3-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(N=CS2)C

DOS

IR

Vibrations