Geometry & MOs

Info

ID:	429298
PubChem CID:	135169267
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	3.26
IP(EA), eV:	-9.23(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[(1R)-1-pyridin-4-ylpropyl]carbamate

Drug info:

PubChemData

Smile

C1CC1[C@H](C2=CC=CC=C2)NC(=O)OC3=CC=CC=C3

DOS

IR

Vibrations