Geometry & MOs

Info

ID:	371616
PubChem CID:	131269100
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	-70.4
Dipole, Da:	8.67
IP(EA), eV:	-9.23(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-2-methyl-6-pyrrol-2-ylidene-1H-pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(NC(=NC1=O)C)CC2COCCN2

DOS

IR

Vibrations