Geometry & MOs

Info

ID:	156808
PubChem CID:	56385929
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	426.155272
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	2.56
IP(EA), eV:	-8.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)OC(C)C)C3=CC=CC=C3

DOS

IR

Vibrations