Geometry & MOs

Info

ID:	364786
PubChem CID:	127316124
Reduced:	O3N7C18H21 (1)
Stoich.:	A3B7C18D21 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-54.39
Dipole, Da:	3.57
IP(EA), eV:	-9.29(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C(=O)N3CCN(CC3)CC4=NC=CN4)C(=O)N(C1=O)C

DOS

IR

Vibrations