Geometry & MOs

Info

ID:	370670
PubChem CID:	127339832
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	5.8
IP(EA), eV:	-9.16(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,7-dimethyl-1-benzofuran-2-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CCNC(=O)C3CCCCC3

DOS

IR

Vibrations