Geometry & MOs

Info

ID:	364709
PubChem CID:	127316012
Reduced:	SO2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	2.05
IP(EA), eV:	-9.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(azepan-1-yl)pyridin-3-yl]-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations