Geometry & MOs

Info

ID:	344228
PubChem CID:	127267404
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	6.06
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C=CC(=C(C2=O)[N+](=O)[O-])N

DOS

IR

Vibrations