Geometry & MOs

Info

ID:	308218
PubChem CID:	125321774
Reduced:	ClNC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	32.54
Dipole, Da:	3.8
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-6-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C([C@@H](N=C2C(=C1)C)Cl)C

DOS

IR

Vibrations