Geometry & MOs

Info

ID:	240296
PubChem CID:	93576781
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-110.8
Dipole, Da:	2.84
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-N-[(2S)-1-hydroxybutan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCN1C(=O)C2=CC(=CC(=C2)N)N

DOS

IR

Vibrations