Geometry & MOs

Info

ID:	355573
PubChem CID:	127289331
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	44.38
Dipole, Da:	7.32
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(azepan-1-yl)pyridin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CN=CC4=CC=CC=C43

DOS

IR

Vibrations