Geometry & MOs

Info

ID:	266228
PubChem CID:	103559831
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	315.09462
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	2.81
IP(EA), eV:	-8.68(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-propylpyrazol-3-yl)-2-(1-methoxycyclobutyl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(CCC(=C)C)CC1(CCC1)OC

DOS

IR

Vibrations