Geometry & MOs

Info

ID:	415655
PubChem CID:	135088654
Reduced:	O3N7C24H35 (1)
Stoich.:	A3B7C24D35 (1)
Weight, g/mol:	371.203134
ΔH_f, kcal/mol:	49.75
Dipole, Da:	24.07
IP(EA), eV:	-7.18(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylmethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1C2=NC(=NN2CC(=O)NCCNCCCC(=O)N[C@@H](C(=O)N1)CC(C)C)C3=CC=CC=C3

DOS

IR

Vibrations