Geometry & MOs

Info

ID:	358543
PubChem CID:	127296139
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	3.34
IP(EA), eV:	-8.05(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrolidin-1-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CCNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations