Geometry & MOs

Info

ID:	218429
PubChem CID:	85089428
Reduced:	N3O4H23C28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	465.324294
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	12.16
IP(EA), eV:	-9.24(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-N,N-dimethylprop-2-enamide

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=C(C=C6)C)O

DOS

IR

Vibrations