Geometry & MOs

Info

ID:	149946
PubChem CID:	53789628
Reduced:	SN4O7C19H28 (1)
Stoich.:	AB4C7D19E28 (1)
Weight, g/mol:	470.268176
ΔH_f, kcal/mol:	-236.49
Dipole, Da:	7.29
IP(EA), eV:	-8.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-4-[(2,4-dimethylpyrazol-3-yl)amino]-1-(4-phenylmethoxyphenyl)butan-1-ol

Drug info:

PubChemData

Smile

CN1C=CN(C1=NC(=O)OCC=C)CC[C@@H]2C[C@H](CN2C(=O)OCC=C)OS(=O)(=O)C

DOS

IR

Vibrations