Geometry & MOs

Info

ID:	169251
PubChem CID:	75080085
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-113.76
Dipole, Da:	6.09
IP(EA), eV:	-9.43(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(4-aminophenyl)methylamino]-2-ethylidene-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CCC(=O)OC(C1)COCC2=CC=CC=C2

DOS

IR

Vibrations