Geometry & MOs

Info

ID:	134379
PubChem CID:	51687981
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	459.94933
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	2.75
IP(EA), eV:	-9.64(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-amino-4-(3-bromophenyl)-3-(3,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CCC[C@@H]2N

DOS

IR

Vibrations