Geometry & MOs

Info

ID:	365134
PubChem CID:	127316918
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	4.15
IP(EA), eV:	-8.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C(C)N3C(=O)C4=C(C3=O)C=C(C=C4)C

DOS

IR

Vibrations