Geometry & MOs

Info

ID:	73874
PubChem CID:	48420876
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	387.126216
ΔH_f, kcal/mol:	-101.07
Dipole, Da:	5.59
IP(EA), eV:	-8.41(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-pyridin-3-ylurea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations