Geometry & MOs

Info

ID:	134876
PubChem CID:	51773909
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	6.5
IP(EA), eV:	-9.99(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-N-tert-butyl-2-[formyl(methyl)amino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])N(C)C=O

DOS

IR

Vibrations