Geometry & MOs

Info

ID:	74062
PubChem CID:	48421410
Reduced:	BrON4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	397.05382
ΔH_f, kcal/mol:	37.72
Dipole, Da:	1.55
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)cyclopropyl]-3-(2-pyrazol-1-ylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)NC2(CC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations