Geometry & MOs

Info

ID:	261577
PubChem CID:	103241212
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-38.95
Dipole, Da:	7.02
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C21)CNCCN3C=C(N=N3)C(=O)O

DOS

IR

Vibrations