Geometry & MOs

Info

ID:	275858
PubChem CID:	103818486
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	2.25
IP(EA), eV:	-8.17(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(oxan-4-ylamino)phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NCC2=CC=C(O2)Cl

DOS

IR

Vibrations