Geometry & MOs

Info

ID:	174731
PubChem CID:	75807087
Reduced:	O2N4C19H27 (1)
Stoich.:	A2B4C19D27 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124137
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-pyridin-4-ylurea

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)NC1=CC=NC=C1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations