Geometry & MOs

Info

ID:	406622
PubChem CID:	135078177
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-100.03
Dipole, Da:	12.54
IP(EA), eV:	-9.95(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[methoxy-(2-methylphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CCCC(=O)C(=C1OCCO1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations