Geometry & MOs

Info

ID:	281688
PubChem CID:	103914221
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	243.194677
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	5.95
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=NN=C(O1)C2=CC=CC=C2

DOS

IR

Vibrations