Geometry & MOs

Info

ID:	338019
PubChem CID:	127258642
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-212.3
Dipole, Da:	4.8
IP(EA), eV:	-10.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formyl-2,5-dimethylheptan-2-yl) carbamate

Drug info:

PubChemData

Smile

CC(C)(COC(=O)CCC(=O)C1=CC=CC=C1)OC(=O)N

DOS

IR

Vibrations