Geometry & MOs

Info

ID:	144596
PubChem CID:	53387519
Reduced:	N3H13C15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	104.49
Dipole, Da:	5.3
IP(EA), eV:	-8.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-(3-hydroxyphenyl)propan-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/NCC3=CN=CC=C3)/C=N2

DOS

IR

Vibrations