Geometry & MOs

Info

ID:	233724
PubChem CID:	92093086
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	372.054466
ΔH_f, kcal/mol:	9.88
Dipole, Da:	6.28
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-[(2-pyridin-4-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations