Geometry & MOs

Info

ID:	144741
PubChem CID:	53405337
Reduced:	NOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	22.29
Dipole, Da:	4.53
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)C3=CC(=CN=C3)O

DOS

IR

Vibrations