Geometry & MOs

Info

ID:	232421
PubChem CID:	87576155
Reduced:	NO5C15H27 (2)
Stoich.:	AB5C15D27 (2)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-430.36
Dipole, Da:	14.15
IP(EA), eV:	-8.91(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl prop-2-ynoate;N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CCO[NH+]1C(CC(CC1(C)C)OC(=O)C)(C)C.CCO[NH+]1C(CC(CC1(C)C)OC(=O)C)(C)C.C(=C/C(=O)[O-])\C(=O)[O-]

DOS

IR

Vibrations