Geometry & MOs

Info

ID:	175252
PubChem CID:	75873647
Reduced:	Cl2O2N4C22H27 (1)
Stoich.:	A2B2C4D22E27 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	3.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754011
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-ylpyridin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC[NH+](C(C1)CNC(=O)NC2=CC=CC=C2)CCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations