Geometry & MOs

Info

ID:	207538
PubChem CID:	80411149
Reduced:	OSN2C15H26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	-15.47
Dipole, Da:	2.62
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-cyanophenyl)-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(COC)(C1CC1)C2=NC(=CS2)C(C)C

DOS

IR

Vibrations