Geometry & MOs

Info

ID:	406896
PubChem CID:	135078875
Reduced:	N3O8C13H19 (1)
Stoich.:	A3B8C13D19 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-326.04
Dipole, Da:	4.55
IP(EA), eV:	-9.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4,6-dimethyl-3-oxohept-6-enyl)carbamate

Drug info:

PubChemData

Smile

CC1=C(C(C(N1NC(=O)N)(CC(=O)OC)O)C(=O)OC)C(=O)OC

DOS

IR

Vibrations