Geometry & MOs

Info

ID:	181407
PubChem CID:	76744240
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	574.250395
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	6.05
IP(EA), eV:	-8.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-acetyl-5-(4-methoxyphenyl)-1,4-diazocane-1-carbonyl]-4-(2,4-difluorophenyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC)C3CCCN(C3C2)C(=O)C4=CC5=C(CC=N5)C=C4

DOS

IR

Vibrations