Geometry & MOs

Info

ID:	319733
PubChem CID:	126657136
Reduced:	INSH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	84.23
Dipole, Da:	6.74
IP(EA), eV:	-8.53(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4R)-4-[[[4-(dihydroxymethyl)pyridin-3-yl]amino]methyl]-3,4-dihydro-2H-chromen-7-yl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)C#CSI

DOS

IR

Vibrations