Geometry & MOs

Info

ID:	360248
PubChem CID:	127300891
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-76.36
Dipole, Da:	7.14
IP(EA), eV:	-8.27(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations