Geometry & MOs

Info

ID:	427911
PubChem CID:	135165471
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	2.28
IP(EA), eV:	-9.01(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[(E)-6-methyl-5-oxohept-3-enyl]carbamate

Drug info:

PubChemData

Smile

CCN(C/C=C/C(=O)C(C)C)CC(=O)NC

DOS

IR

Vibrations