Geometry & MOs

Info

ID:	320931
PubChem CID:	126664262
Reduced:	NO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-181.93
Dipole, Da:	5.92
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl hydrogen carbonate;phenol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CC(OC2=O)C(=O)O

DOS

IR

Vibrations