Geometry & MOs

Info

ID:	74069
PubChem CID:	48421419
Reduced:	BrON6H17C18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	398.04907
ΔH_f, kcal/mol:	100.78
Dipole, Da:	11.11
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)cyclopropyl]-3-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=N2)NC(=O)NC3(CC3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations