Geometry & MOs

Info

ID:	122043
PubChem CID:	50790837
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	384.195011
ΔH_f, kcal/mol:	23.66
Dipole, Da:	4.57
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations