Geometry & MOs

Info

ID:	368215
PubChem CID:	127327766
Reduced:	ClO3N4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	362.188881
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	6.48
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)N2CCOCC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations