Geometry & MOs

Info

ID:	376644
PubChem CID:	134222665
Reduced:	O2N5C32H39 (1)
Stoich.:	A2B5C32D39 (1)
Weight, g/mol:	496.283826
ΔH_f, kcal/mol:	-21.17
Dipole, Da:	2.74
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-methylcyclopropyl)phenyl]-5-phenylpyridazin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC(C1)(C2=CC=C(C=C2)C3=NN=C(C=C3C4=CC=CC=C4)NC(=O)CC5CCC(CC5)N(C)C(=O)C)N

DOS

IR

Vibrations