Geometry & MOs

Info

ID:	191240
PubChem CID:	78122269
Reduced:	N3O4C19H33 (1)
Stoich.:	A3B4C19D33 (1)
Weight, g/mol:	401.220223
ΔH_f, kcal/mol:	-196.53
Dipole, Da:	6.31
IP(EA), eV:	-8.84(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxybenzoic acid;3-[1-(dimethylamino)-2-methylpentan-3-yl]phenol

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)O)C(C)CN(C)C.C(CC(=O)N)C(C(=O)O)N

DOS

IR

Vibrations