Geometry & MOs

Info

ID:	244446
PubChem CID:	99355563
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	38.42
Dipole, Da:	2.97
IP(EA), eV:	-9.32(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-6-imidazol-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=NN=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations