Geometry & MOs

Info

ID:	192025
PubChem CID:	78215034
Reduced:	ClO2N5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	5.74
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-phenyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCNC1=NC2C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

DOS

IR

Vibrations