Geometry & MOs

Info

ID:	281659
PubChem CID:	103914182
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	201.147727
ΔH_f, kcal/mol:	-93.7
Dipole, Da:	3.21
IP(EA), eV:	-9.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[3-(methylamino)-3-oxopropyl]amino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations