Geometry & MOs

Info

ID:	307127
PubChem CID:	125269225
Reduced:	N3O3H7C10 (1)
Stoich.:	A3B3C7D10 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	39.14
Dipole, Da:	5.56
IP(EA), eV:	-10.63(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7aS)-6-amino-3,4-bis(4-ethoxy-3-methoxyphenyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC(=O)[C@@H]1[N+](=O)[O-])C2=CC=NC=C2

DOS

IR

Vibrations