Geometry & MOs

Info

ID:	307782
PubChem CID:	125309161
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	498.145868
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	1.53
IP(EA), eV:	-8.61(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aR)-6-amino-4-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-3-(4-methylphenyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=C2C=CC=C(C2=NC1)OC)N

DOS

IR

Vibrations