Geometry & MOs

Info

ID:	130025
PubChem CID:	51074660
Reduced:	FN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-128.84
Dipole, Da:	4.73
IP(EA), eV:	-8.71(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-propan-2-yloxypropyl)-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC(C)COC)F

DOS

IR

Vibrations