Geometry & MOs

Info

ID:	324169
PubChem CID:	126677060
Reduced:	N8H14C17 (1)
Stoich.:	A8B14C17 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	190.13
Dipole, Da:	5.89
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminophenyl)-N-(2,4-ditert-butyl-5-hydroxyphenyl)-3-oxopropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations