Geometry & MOs

Info

ID:	125175
PubChem CID:	50913236
Reduced:	N5O9C47H61 (1)
Stoich.:	A5B9C47D61 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-319.95
Dipole, Da:	4.32
IP(EA), eV:	-8.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S,2R)-2-methylcyclohexyl]amino]-7-nitropyrrolo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCOCCC4=CC(=CC=C4)CN5CCC6(CC5)CN(CCO6)C(=O)C7COC8=CC=CC=C8O7

DOS

IR

Vibrations