Geometry & MOs

Info

ID:	129644
PubChem CID:	51073437
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	3.04
IP(EA), eV:	-9.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)N(CC2=CC=CC=N2)C3CC3

DOS

IR

Vibrations