Geometry & MOs

Info

ID:	199720
PubChem CID:	79287258
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	1.82
IP(EA), eV:	-10.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)CN(C1=O)CC#C

DOS

IR

Vibrations