Geometry & MOs

Info

ID:	30894
PubChem CID:	844896
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	330.129217
ΔH_f, kcal/mol:	4.64
Dipole, Da:	1.81
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-amino-3-tert-butyl-4-(2,4-difluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C

DOS

IR

Vibrations