Geometry & MOs

Info

ID:	126925
PubChem CID:	50984535
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	8.23
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CN2C(=NC3=C2C(CC(=O)NC3)C4=CC=CC=C4OCCN(C)C)C=C1

DOS

IR

Vibrations