Geometry & MOs

Info

ID:	368284
PubChem CID:	127327868
Reduced:	FON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	380.235831
ΔH_f, kcal/mol:	-2.84
Dipole, Da:	0.81
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3CCCN(C3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations