Geometry & MOs

Info

ID:	240275
PubChem CID:	93576750
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	3.87
IP(EA), eV:	-8.46(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-N-[(2S)-3-methylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)C1=C(C=C(C=C1)N)N

DOS

IR

Vibrations