Geometry & MOs

Info

ID:	216083
PubChem CID:	85085685
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-6.68
Dipole, Da:	5.04
IP(EA), eV:	-9.36(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(1-hydroxy-4-phenylbutan-2-yl)carbamate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NNC2=O)C3=CC=NC=C3

DOS

IR

Vibrations