Geometry & MOs

Info

ID:	122038
PubChem CID:	50790694
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	3.74
IP(EA), eV:	-8.39(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=C(N3C(=C(C(=N3)C)C4=CC=CC(=C4)C)N=C2)C

DOS

IR

Vibrations