Geometry & MOs

Info

ID:	251420
PubChem CID:	103103861
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	2.16
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C=CC(=C1)C)C#CCN

DOS

IR

Vibrations