Geometry & MOs

Info

ID:	338020
PubChem CID:	127258651
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-167.22
Dipole, Da:	2.0
IP(EA), eV:	-9.81(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-4-formyl-2-methyl-5-phenylpent-4-en-2-yl] carbamate

Drug info:

PubChemData

Smile

CCC(C)C(CC(C)(C)OC(=O)N)C=O

DOS

IR

Vibrations