Geometry & MOs

Info

ID:	56840
PubChem CID:	22394342
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	5.0
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-pyrimidin-4-ylpiperidin-4-yl)carbamic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C3=C(C=C2C(=O)O)C(=CC=C3)OC

DOS

IR

Vibrations