Geometry & MOs

Info

ID:	362350
PubChem CID:	127307419
Reduced:	ON3C10H19 (2)
Stoich.:	AB3C10D19 (2)
Weight, g/mol:	366.220181
ΔH_f, kcal/mol:	-103.17
Dipole, Da:	1.36
IP(EA), eV:	-8.38(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)C

DOS

IR

Vibrations