Geometry & MOs

Info

ID:	212842
PubChem CID:	81062001
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	5.43
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminoprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=NC=C(C=C1)C#CCN

DOS

IR

Vibrations