Geometry & MOs

Info

ID:	136876
PubChem CID:	52117611
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-25.98
Dipole, Da:	4.64
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)N[C@@H](C)C3=CC=CC=C3)C

DOS

IR

Vibrations