Geometry & MOs

Info

ID:	265923
PubChem CID:	103556727
Reduced:	IN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	2.76
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methoxycyclobutyl)methyl]-4-methyl-2-phenylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)NC2=NC=C(C=C2)I

DOS

IR

Vibrations