Geometry & MOs

Info

ID:	288922
PubChem CID:	104328539
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	9.7
IP(EA), eV:	-8.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-tert-butylanilino)-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCCN(C)C2CC2)C(=O)O

DOS

IR

Vibrations