Geometry & MOs

Info

ID:	448356
PubChem CID:	135290338
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-139.35
Dipole, Da:	1.78
IP(EA), eV:	-10.18(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)ethyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(C1=O)CC2

DOS

IR

Vibrations