Geometry & MOs

Info

ID:	132869
PubChem CID:	51435412
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	410.104876
ΔH_f, kcal/mol:	-89.55
Dipole, Da:	6.84
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R)-6-amino-3-thiophen-2-yl-4-(3,4,5-trimethoxyphenyl)-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

DOS

IR

Vibrations