Geometry & MOs

Info

ID:	298677
PubChem CID:	117653880
Reduced:	FN4O7C41H59 (1)
Stoich.:	AB4C7D41E59 (1)
Weight, g/mol:	324.171689
ΔH_f, kcal/mol:	-397.9
Dipole, Da:	6.07
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-3-[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]propane-1,2-diamine;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OCCF)C2=C(C=CC=N2)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H]3CCCN(C3)C(=O)CCC4CCN(CC4)C(=O)OC(C)(C)C

DOS

IR

Vibrations