Geometry & MOs

Info

ID:	290431
PubChem CID:	104502139
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	4.65
IP(EA), eV:	-8.38(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCC(CC1)OC)C2=CC=C(C=C2)N

DOS

IR

Vibrations