Geometry & MOs

Info

ID:	364779
PubChem CID:	127316117
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	6.54
IP(EA), eV:	-9.09(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCCC1C(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations