Geometry & MOs

Info

ID:	302557
PubChem CID:	124385071
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-28.59
Dipole, Da:	4.13
IP(EA), eV:	-7.81(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C(C2=NC=C1)N[C@H](CCCN)C(C)C)OC

DOS

IR

Vibrations