Geometry & MOs

Info

ID:	370635
PubChem CID:	127339791
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	391.10077
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	0.43
IP(EA), eV:	-9.23(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations