Geometry & MOs

Info

ID:	321440
PubChem CID:	126666041
Reduced:	F3N3O4H18C22 (1)
Stoich.:	A3B3C4D18E22 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-182.32
Dipole, Da:	3.9
IP(EA), eV:	-8.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[3-cyano-5-(furan-2-yl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)OC)OC)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations