Geometry & MOs

Info

ID:	369110
PubChem CID:	127331279
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	2.64
IP(EA), eV:	-8.5(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-cyclopropyl-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations