Geometry & MOs

Info

ID:	27400
PubChem CID:	821114
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	6.24
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1-methylindol-2-yl)-2-pyridin-3-ylethanol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations