Geometry & MOs

Info

ID:	140518
PubChem CID:	52714540
Reduced:	N2O2C8H11 (2)
Stoich.:	A2B2C8D11 (2)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	7.59
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl(methyl)carbamoyl]amino]-N-(3-ethynylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)NCC2=C(C(=C(C=C2)OC)OC)OC)C

DOS

IR

Vibrations