Geometry & MOs

Info

ID:	144075
PubChem CID:	53307325
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-57.89
Dipole, Da:	3.6
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(prop-2-ynyliminomethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CCCC(C1=C(N2C(=CC(=N2)C(C)(C)C)N=C1C)C3=CC(=C(C=C3)C)C)C(=O)O

DOS

IR

Vibrations