Geometry & MOs

Info

ID:	134464
PubChem CID:	51701642
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	444.100061
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	7.56
IP(EA), eV:	-8.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3=NC(=O)C[C@H](N3N2)C(=O)NC4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations