Geometry & MOs

Info

ID:	373787
PubChem CID:	131320071
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	85.7
Dipole, Da:	7.04
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-amino(oxan-4-yl)methyl]-6-chlorophenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=C2)C(C#N)N

DOS

IR

Vibrations