Geometry & MOs

Info

ID:	190169
PubChem CID:	77960675
Reduced:	O5C25H36 (1)
Stoich.:	A5B25C36 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-172.84
Dipole, Da:	5.54
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(C)C)O

DOS

IR

Vibrations