Geometry & MOs

Info

ID:	360233
PubChem CID:	127300876
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	3.75
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCCN(CC3)CC4=CN(N=C4)C)O)C

DOS

IR

Vibrations