Geometry & MOs

Info

ID:	415921
PubChem CID:	135088923
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	5.18
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)NCCN3C(=O)C4=CC=CC=C4C=N3)O

DOS

IR

Vibrations