Geometry & MOs

Info

ID:	134463
PubChem CID:	51701466
Reduced:	BrO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-17.83
Dipole, Da:	8.41
IP(EA), eV:	-9.56(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(3,4-dimethoxyphenyl)-3-methyl-2-(4-methylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Br

DOS

IR

Vibrations