Geometry & MOs

Info

ID:	145639
PubChem CID:	53563327
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	3.84
IP(EA), eV:	-8.75(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylphenyl)methyl]-6-imidazol-1-yl-N-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NC(=NC(=C3)C)N

DOS

IR

Vibrations