Geometry & MOs

Info

ID:	416978
PubChem CID:	135090949
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	2.01
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CN2CCC3(CC2)CN(C(=O)CCO3)CC4=CC=CC=N4

DOS

IR

Vibrations