Geometry & MOs

Info

ID:	28727
PubChem CID:	829200
Reduced:	N3O5H9C13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-157.91
Dipole, Da:	6.23
IP(EA), eV:	-9.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)[C@]3([C@@]2(NC4=C3C(=O)NC(=O)N4)O)O

DOS

IR

Vibrations