Geometry & MOs

Info

ID:	343338
PubChem CID:	127266511
Reduced:	N5H13C17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	152.02
Dipole, Da:	2.34
IP(EA), eV:	-9.46(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=CC2=NC=C(C=C2)C#N)N3C=NC=N3

DOS

IR

Vibrations