Geometry & MOs

Info

ID:	199451
PubChem CID:	79247652
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	226.179361
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	3.62
IP(EA), eV:	-8.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-ethyl-2-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=C(C=CC(=C1)C(=O)N(C)C)N

DOS

IR

Vibrations