Geometry & MOs

Info

ID:	307405
PubChem CID:	125299809
Reduced:	OC21H26 (1)
Stoich.:	AB21C26 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	-18.88
Dipole, Da:	2.13
IP(EA), eV:	-8.91(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7aS)-6-amino-4-[(1R)-cyclohex-3-en-1-yl]-3-phenyl-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(CCO)(CC2=CC=C(C=C2)C)C=C

DOS

IR

Vibrations