Geometry & MOs

Info

ID:	265928
PubChem CID:	103556816
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	293.133969
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	3.88
IP(EA), eV:	-8.32(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-difluorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(NN=C2N)CC3(CCC3)OC

DOS

IR

Vibrations