Geometry & MOs

Info

ID:	149199
PubChem CID:	53788871
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-117.8
Dipole, Da:	2.57
IP(EA), eV:	-9.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C[N+](=O)[O-])C(C(=O)C(=O)NC1=CC=CC=C1)O

DOS

IR

Vibrations