Geometry & MOs

Info

ID:	364746
PubChem CID:	127316052
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	63.41
Dipole, Da:	7.13
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(2-morpholin-4-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations