Geometry & MOs

Info

ID:	366593
PubChem CID:	127320122
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-186.58
Dipole, Da:	4.43
IP(EA), eV:	-8.21(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1CCCO1)C(=O)[C@@H]2CCCN2C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations