Geometry & MOs

Info

ID:	196037
PubChem CID:	78769167
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	3.13
IP(EA), eV:	-8.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methylpyridin-2-yl)propyl 3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)N2CCCN(CC2)C

DOS

IR

Vibrations