Geometry & MOs

Info

ID:	338022
PubChem CID:	127258653
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-75.34
Dipole, Da:	4.58
IP(EA), eV:	-9.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formyl-2,6-dimethylheptan-2-yl) carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C=O)C(C2=CC=CC=C2)OC(=O)N

DOS

IR

Vibrations