Geometry & MOs

Info

ID:	448953
PubChem CID:	135294707
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	391.235873
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	6.07
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxaldehydoylamino)propyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CCC(C=C1)(C)C2=CC(=C(N=C2)C(=O)NCC(=C)C)O

DOS

IR

Vibrations