Geometry & MOs

Info

ID:	77381
PubChem CID:	48427296
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	4.79
IP(EA), eV:	-9.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N(CC#C)CC2=CC=C(C=C2)C

DOS

IR

Vibrations